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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

A Solution Methodology and Computer Program to Efficiently Model Thermodynamic and Transport Coefficients of Mixtures

A solution methodology has been developed to efficiently model multi-specie, chemically frozen, thermally perfect gas mixtures. The method relies on the ability to generate a single (composite) set of thermodynamic and transport coefficients prior to beginning a CFD solution. While not fundamentally a new concept, many applied CFD users are not aware of this capability nor have a mechanism to easily and confidently generate new coefficients. A database of individual specie property coefficients has been created for 48 species. The seven coefficient form of the thermodynamic functions is currently used rather then the ten coefficient form due to the similarity of the calculated properties, low temperature behavior and reduced CPU requirements. Sutherland laminar viscosity and thermal conductivity coefficients were computed in a consistent manner from available reference curves. A computer program has been written to provide CFD users with a convenient method to generate composite specie coefficients for any mixture. Mach 7 forebody/inlet calculations demonstrated nearly equivalent results and significant CPU time savings compared to a multi-specie solution approach. Results from high-speed combustor analysis also illustrate the ability to model inert test gas contaminants without additional computational expense.

Ferlemann, Paul G.↗
NASA NTRSDate not supplied

Degradation of Silica and Sapphire Windows at Elevated Temperatures

Silica and sapphire are very stable oxide materials. However, at high temperatures they are both susceptible to chemical degradation by three major mechanisms: (1) Deposition of fluxing oxides (2) Non-reactive vaporization (3) Reactive vaporization, particularly by water vapor. In order to model and predict each of these, accurate thermodynamic data and information on the environment are needed. Experimental and theoretical methods used at NASA for identifying the generated gas species and obtaining the relevant thermochemical data are discussed. Modeling and prediction of degradation are discussed for different environments and flow conditions. In addition, surface devitrification or etch pitting is likely under some conditions.

Mass spectrometry↗
NASA NTRS2021

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗
NASA NTRS1983

Numerical simulation of airfoil ice accretion

A mathematical model of glaze and rime ice accretion on a two-dimensional airfoil is presented. The model employs standard methods for calculating the flow field and cloud droplet trajectories. This data is used as input to a thermodynamic analysis of the ice accretion process which includes liquid runback. The structure of the model allows for dynamic updating of the droplet collection efficiency and heat and mass transfer processes as the accreted ice shape changes. This results in the improved shape prediction over previously described methods. Simulations made with the model are compared to experimental results obtained for a NACA 0012 airfoil in the NASA/Lewis Icing Research Tunnel. The agreement with experiment is found to be generally satisfactory for some cases, but a need for improvements is indicated by others. Suggestions for improvements are made.

Macarthur, C. D.↗
NASA NTRS1994

Aerothermodynamic methods for a Mars environmental survey Mars entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley aerothermodynamics upwind relaxation algorithm (LAURA) for Mars atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Mars-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Mars-entry conditions characteristics of the Mars environmental survey mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/cm(exp 2). Radiative heating is negligible.

AEROTHERMODYNAMIC METHODS↗
NASA NTRS2020

An Improved Plastically Dilatant Unified Viscoplastic Constitutive Formulation for Multiscale Analysis of Polymer Matrix Composites Under High Strain Rate Loading

Polymer matrix composites are commonly used to fabricate energy-absorbing structures expected to experience impact loading. As such, a detailed understanding of the dynamic response of the constituent materials is necessary. Since the rate, temperature, and pressure dependence of carbon fiber reinforced polymer matrix composites are primarily manifestations of the rate, temperature, and pressure dependence of the polymer matrix, it is crucial that the constitutive behavior of the matrix be accurately characterized. In this work, an existing unified viscoplastic constitutive formulation is extended to ensure thermodynamic consistency and to more accurately account for the tension-compression asymmetry observed in the response of polymeric materials. A new plastic potential function is proposed, and elementary loading conditions are utilized to determine relations between model constants to ensure nonnegative plastic dissipation, a necessary thermodynamic requirement. Expressions for plastic Poisson’s ratios are derived and are bounded by enforcing nonnegative plastic dissipation. The model is calibrated against available experimental data from tests conducted over a range of strain rates, temperatures, and loading cases on a representative thermoset epoxy; good correlation between simulations and experimental data is obtained. Temperature rises due to the conversion of plastic work to heat are computed via the adiabatic heat energy equation. The viscoplastic polymer model is then used as a constitutive model in the generalized method of cells micromechanics theory to investigate the effects of matrix adiabatic heating on the high strain rate response of a unidirectional composite. The thermodynamic consistency of the model ensures plastic dissipation can only cause an increase in temperature. Simulation results indicate that significant thermal softening due to the conversion of plastic work to heat is observed in the composite for matrix dominated deformation modes.

Impact loading↗
NASA NTRS1991

Post-glacial relaxation of a viscously stratified compressible mantle

The postglacial relaxation phenomenon of a viscously compressible nonself-gravitating spherical-shell model is investigated. Analytical solutions to an exponentially depth-dependent viscosity are developed with various types of compressible density models such as those with an exponential dependence of the radius and an algebraic-root dependence of the radius. The solutions of a viscously compressible multilayered model with constant thermodynamic properties and viscosity are developed by the propagator matrix method. The results show that inferences of deep mantle viscosity from postglacial rebound would be hampered by mantle compressibility for long-wavelength harmonics because of the smaller excitation of compressible eigenfunctions in the lower mantle. The relaxation times and velocity fields are more sensitive to higher viscosity contrast for the exponentially varying viscosity than for models with discrete jumps in the viscosity structure.

Wu, J.↗
NASA NTRS1992

An approximate local thermodynamic nonequilibrium radiation model for air

A radiatively coupled viscous shock layer analysis program which includes chemical and thermal nonequilibrium is used to calculate stagnation point flow profiles for typical aeroassisted orbital transfer vehicle conditions. Two methods of predicting local thermodynamic nonequilibrium radiation effects are used as a first and second order approximation to this phenomena. Tabulated results for both nitrogen and air freestreams are given with temperature, species, and radiation profiles for some air conditions. Two body solution results are shown for 45 and 60 degree hyperboloid bodies at 12 km/sec and 80 km altitude. The presented results constitute an advancement in the engineering modeling of radiating nonequilibrium reentry flows.

Gally, Thomas A.↗
NASA NTRS1992

An approximate local thermodynamic nonequilibrium radiation model for air

A radiatively coupled viscous shock layer analysis program which includes chemical and thermal nonequilibrium is used to calculate stagnation point flow profiles for typical aeroassisted orbital transfer vehicle conditions. Two methods of predicting local thermodynamic nonequilibrium radiation effects are used as a first and second order approximation to this phenomena. Tabulated results for both nitrogen and air freestreams are given with temperature, species, and radiation profiles for some air conditions. Two body solution results are shown for 45 and 60 degree hyperboloid bodies at 12 km/sec and 80 km altitude. The presented results constitute an advancement in the engineering modeling of radiating nonequilibrium reentry flows.

Gally, Thomas A.↗
NASA NTRS2009

Transient Modeling and Analysis of a Metabolic Heat-Regenerated Temperature Swing Adsorption (MTSA) System for a PLSS

A Metabolic heat-regenerated Temperature Swing Adsorption (MTSA) system is being developed for carbon dioxide, water and thermal control in a lunar and martian portable life support system (PLSS). A previous system analysis was performed to evaluate the impact of MTSA on PLSS design. That effort was Mars specific and assumed liquid carbon dioxide (LCO2) coolant made from martian resources. Transient effects were not considered but rather average conditions were used throughout the analysis. This effort takes into further consideration the transient effects inherent in the cycling MTSA system as well as assesses the use of water as coolant. Standard heat transfer, thermodynamic, and heat exchanger methods are presented to conduct the analysis. Assumptions and model verification are discussed. The tool was used to perform various system studies. Coolant selection was explored and takes into account different operational scenarios as the minimum bed temperature is driven by the sublimation temperature of the coolant (water being significantly higher than LCO2). From this, coolant mass is sized coupled with sorbent bed mass because MTSA adsorption performance decreases with increasing sublimation temperature. Reduction in heat exchanger performance and even removal of certain heat exchangers, like a recuperative one between the two sorbent beds, is also investigated. Finally, the coolant flow rate is varied over the cycle to determine if there is a more optimal means of cooling the bed from a mass perspective. Results of these studies and subsequent recommendations for system design are presented.

Iacomini, Christie↗
NASA NTRS2003

Latent Heating Retrieval from TRMM Observations Using a Simplified Thermodynamic Model

A procedure for the retrieval of hydrometeor latent heating from TRMM active and passive observations is presented. The procedure is based on current methods for estimating multiple-species hydrometeor profiles from TRMM observations. The species include: cloud water, cloud ice, rain, and graupel (or snow). A three-dimensional wind field is prescribed based on the retrieved hydrometeor profiles, and, assuming a steady-state, the sources and sinks in the hydrometeor conservation equations are determined. Then, the momentum and thermodynamic equations, in which the heating and cooling are derived from the hydrometeor sources and sinks, are integrated one step forward in time. The hydrometeor sources and sinks are reevaluated based on the new wind field, and the momentum and thermodynamic equations are integrated one more step. The reevalution-integration process is repeated until a steady state is reached. The procedure is tested using cloud model simulations. Cloud-model derived fields are used to synthesize TRMM observations, from which hydrometeor profiles are derived. The procedure is applied to the retrieved hydrometeor profiles, and the latent heating estimates are compared to the actual latent heating produced by the cloud model. Examples of procedure's applications to real TRMM data are also provided.

Grecu, Mircea↗
NASA NTRS1994

Analysis of helium-rich subdwarf O stars. 1: NLTE models, methods, and fits for 21 Palomar Green survey sdOs

Atmospheric parameters for 21 helium-rich hot subdwarf O stars from the Palomar Green survey are found from fits of non-local thermodynamic equilibrium (NLTE) models to optical spectra. About 250 new NLTE models in the parameter range T(sub eff) from 35,000 to 65,000 K, log (g) from 4.0 to 6.5, and epsilon(He) from 50% He to 99% He have been calculated. A fit for each object is presented. Estimated distances and luminosities are calculated, assuming a mass of 0.5 solar masses. Large distances above the Galactic plane are found, and this implies that the majority of the sdO stars belong to a different stellar population than the sdB, planetary nebulae and white dwarf stars. Possibilities may include the halo and a 'thick disk.' Kinematical data from the literature are also discussed in view of the found distances. Five of the stars have been observed, modeled, and analyzed by Dreizler et al., and significant differences exist between their results and ours for these stars. The reason for these differences is not yet known, but the problem does not alter the conclusions about population membership that we present.

Thejll, P.↗
NASA NTRS1982

The cometary atmosphere and its interaction with the solar wind

The present state of knowledge of cometary atmospheres and their interaction with the solar winds is assessed. Current models of the magnetospheres and ionospheres of comets are based on either an atmospheric chemistry approach, minimizing the effects of atmospheric dynamics and thermodynamics, while the other method takes the exact opposite viewpoint and roles and significance are reversed. A major difficulty in completing the models is a lack of data on the chemical composition of the cometary nucleus, although UV observations have revealed the H, C, O, and S elemental abundance ratios. It is suggested that further studies of collisional ionization by energetic electrons be performed to characterize processes in the cometary atmosphere. Hydronium may be the dominat molecule in the inner coma, if the assumption that the ionosphere is a magnetic field-free cavity separated from the solar wind by an unyielding tangential discontinuity surface is accurate. Particular observations and theoretical attention are recommended for the solar wind interaction in the intermediate range, i.e., 2.5-5 AU, when the cometary atmosphere develops.

Mendis, D. A.↗
NASA NTRS1974

Thermodynamic properties derived from the free volume model of liquids

An equation of state and expressions for the isothermal compressibility, thermal expansion coefficient, heat capacity, and entropy of liquids have been derived from the free volume model partition function suggested by Turnbull. The simple definition of the free volume is used, and it is assumed that the specific volume is directly related to the cube of the intermolecular separation by a proportionality factor which is found to be a function of temperature and pressure as well as specific volume. When values of the proportionality factor are calculated from experimental data for real liquids, it is found to be approximately constant over ranges of temperature and pressure which correspond to the dense liquid phase. This result provides a single-parameter method for calculating dense liquid thermodynamic properties and is consistent with the fact that the free volume model is designed to describe liquids near the solidification point.

Miller, R. I.↗
NASA NTRS1990

Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

Grossman, B.↗
NASA NTRS1993

Numerical Model for Isothermal and Non-Isothermal Crystallization of Liquids and Glasses

A new numerical model of isothermal and non-isothermal first order phase transformations, such as the crystallization of liquids and glasses, is presented. This model computes directly the volume fraction transformed, taking into account time-dependent nucleation rates and cluster-size-dependent growth velocities. The model is applied to the crystallization of lithium disilicate glass, using the appropriate kinetic and thermodynamic parameters. The model is used (1) to determine the validity of common methods for computing the volume fraction transformed as a function of time in isothermal experiments when a time-dependent nucleation rate is expected, (2) to simulate non-isothermal differential scanning calorimetry (DSC) studies of glass devitrification as a function of scan rate, and (3) to compute the effect of preannealing on the DSC peak parameters. A novel behavior of the nucleation rate with scan rate is predicted, arising because the relaxation of the cluster distribution cannot be described by a single relaxation time. Comparisons of the calculations with experimental data on this glass demonstrate the validity of the model.

Kelton, K. F.↗
NASA NTRS1979

A marching method for calculating line and continuum radiation in high energy flow fields

A method is presented for calculating nongrey radiative fluxes and intensities in a highly ionized, low temperature plasma with extreme line broadening. The method was developed to study radiative heating phenomena in the mass-injected hypersonic shock-layer environments characteristic of outer planet atmospheric entry, although it is not limited to such studies. The radiative properties model assumed local thermodynamic equilibrium and used standard continuum and molecular band models. The atomic line model, however, used a frequency-marching method for the frequency integration, which not only accounted completely for line overlapping (reabsorption) effects, but compared favorably in economy with the best equivalent-width methods. An assessment of hydrogen line-far-wing treatments, with recommendations for engineering models, is also presented.

Bolz, C. W., Jr.↗